ChemSpider 2D Image | Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)propanoate | C28H32O6

Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)propanoate

  • Molecular FormulaC28H32O6
  • Average mass464.550 Da
  • Monoisotopic mass464.219879 Da
  • ChemSpider ID32513435

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Naphthalenepropanoic acid, β-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1,4-dihydro-3-hydroxy-1,4-dioxo-, methyl ester [ACD/Index Name]
3-[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]-3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinyl)propanoat [German] [ACD/IUPAC Name]
1630824-16-6 [RN]
methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)propanoate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 561.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.9±3.0 kJ/mol
    Flash Point: 179.2±23.6 °C
    Index of Refraction: 1.590
    Molar Refractivity: 128.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 6.83
    ACD/LogD (pH 5.5): 4.75
    ACD/BCF (pH 5.5): 1207.39
    ACD/KOC (pH 5.5): 2498.73
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 22.54
    ACD/KOC (pH 7.4): 46.64
    Polar Surface Area: 101 Å2
    Polarizability: 50.7±0.5 10-24cm3
    Surface Tension: 52.8±3.0 dyne/cm
    Molar Volume: 379.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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